⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2890666 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL9015211 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL7782705 | 0.74 | MAPK1 (0.44) | — | |
| SCHEMBL9124172 | 0.73 | GPR35 (0.45) | — | |
| SCHEMBL12778730 | 0.73 | — | — | |
| SCHEMBL31472833 | 0.73 | — | — | |
| SCHEMBL9229308 | 0.70 | HSD17B10 (0.46) | — | |
| SCHEMBL18188354 | 0.70 | TDP1 (0.45) | — | |
| SCHEMBL5410484 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL1545421 | 0.70 | ALDH1A1 (0.53) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109053563-A | A method of preparing hydrochloric acid Flupirtine | 四川青木制药有限公司 | 2018-12-21 | — | — | CN | claimed |
| CN-110520127-A | Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 | TAKEDA PHARMACEUTICALS CO | 2019-11-29 | — | — | CN | disclosed |
| CN-110234648-A | Novel compound and method for producing regulatory T cell | 国立大学法人京都大学 | 2019-09-13 | — | — | CN | disclosed |
| EP-2460789-B1 | METHOD FOR PRODUCING BIARYL COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2017-04-19 | — | — | EP | disclosed |
| CN-103153995-B | Condensed heterocyclic compouds as phosphodiesterase (PDES) inhibitor | 武田药品工业株式会社 | 2016-08-10 | — | — | CN | disclosed |
| US-9079830-B2 | Method for producing biaryl compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| EP-2460789-A1 | METHOD FOR PRODUCING BIARYL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2012-06-06 | — | — | EP | disclosed |
| US-20120123154-A1 | METHOD FOR PRODUCING BIARYL COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-05-17 | — | — | US | disclosed |
| US-7943642-B2 | Insecticidal N,N-di(heteroarylalkyl)amine derivatives | FMC CORPORATION (US) | 2011-05-17 | — | — | US | disclosed |
| US-7943642-B2 | Insecticidal N,N-di(heteroarylalkyl)amine derivatives | FMC CORPORATION (US) | 2011-05-17 | — | — | US | disclosed |
| US-20080287506-A1 | Insecticidal N,N-Di(Heteroarylalkyl) Amine Derivatives | BAYER CROPSCIENCE AG (DE) | 2008-11-20 | — | — | US | disclosed |
| CN-101048400-A | Insecticidal N, N-di (heteroarylalkyl) amine derivatives | BAYER CROPSCIENCE AG (DE) | 2007-10-03 | — | — | CN | disclosed |
| EP-1807414-A1 | INSECTICIDAL N,N-DI(HETEROARYLALKYL) AMINE DERIVATIVES | Bayer CropScience AG (DE) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006050121-A1 | INSECTICIDAL N,N-DI(HETEROARYLALKYL) AMINE DERIVATIVES | BAYER CROPSCIENCE AG (US) | 2006-05-11 | — | — | WO | disclosed |
| CN-1117733-C | Process for synthesis of ribonucleotide reductase inhibitors 3-AP and 3-AMP | VION PHARMACEUTICALS INC (US) | 2003-08-13 | — | — | CN | disclosed |
| CN-1256688-A | Synthesis method of ribonucleotide reductase inhibitor 3-AP and 3AMP | VION PHARMACEUTICALS INC (US) | 2000-06-14 | — | — | CN | disclosed |
| CN-1043503-C | Pyrrole carbonitrile and nitro-pyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof | AMERICAN CYANAMID CO (US) | 1999-06-02 | — | — | CN | disclosed |
| CN-1029313-C | Preparation method of pyrrole carbonitrile and nitropyrrole | AMERICAN CYANAMID CO (US) | 1995-07-12 | — | — | CN | disclosed |
| CN-1098590-A | The application of pyrrole carbonitrile and nitro-pyrrole | AMERICAN CYANAMID CO (US) | 1995-02-15 | — | — | CN | disclosed |
| CN-1043317-A | Pyrrolonitrile and nitropyrrole insecticides, acaricides and molluscicides and processes for their preparation | AMERICAN CYANAMID CO (US) | 1990-06-27 | — | — | CN | disclosed |